11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione

C24H24N2O3 — CID 45381341

IUPAC11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione
SMILESO=C1CCc2c1ccc1c2c2c3c(ccc2n1CCN1CCOCC1)C(=O)CC3
InChIInChI=1S/C24H24N2O3/c27-21-7-3-17-15(21)1-5-19-23(17)24-18-4-8-22(28)16(18)2-6-20(24)26(19)10-9-25-11-13-29-14-12-25/h1-2,5-6H,3-4,7-14H2
InChIKeyXYDVWQLEPVGHTA-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.38
Rot. Bonds3

About 11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione

11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione (PubChem CID 45381341) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione.

Molecular Properties

Compound Name11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione
PubChem CID45381341
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione
SMILESO=C1CCc2c1ccc1c2c2c3c(ccc2n1CCN1CCOCC1)C(=O)CC3
InChIInChI=1S/C24H24N2O3/c27-21-7-3-17-15(21)1-5-19-23(17)24-18-4-8-22(28)16(18)2-6-20(24)26(19)10-9-25-11-13-29-14-12-25/h1-2,5-6H,3-4,7-14H2
InChIKeyXYDVWQLEPVGHTA-UHFFFAOYSA-N
XLogP3.38
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione
CID 58544895
11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione
CID 118000417
10-fluoro-6-(3-fluoropropyl)-1,2-dihydrocyclopenta[c]carbazol-3-one
CID 86275004
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
6-[2-(diethylamino)ethyl]-10-hydroxy-9-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one
CID 136932169
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863
9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
CID 45380800
2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 54688737
3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
CID 807407
12-[2-(diethylamino)ethyl]-4,20-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),9,14,16(21)-hexaene-7,17-dione
CID 118000464
1-(2-morpholin-4-ylethyl)quinoxalin-2-one
CID 142775762
6-(2-morpholin-4-ylethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
CID 176924206

Frequently Asked Questions

What is the IUPAC name of 11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione?
The IUPAC name of 11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione (CID 45381341) is 11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione.
What is the SMILES notation for 11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione?
The canonical SMILES for 11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione is O=C1CCc2c1ccc1c2c2c3c(ccc2n1CCN1CCOCC1)C(=O)CC3.
What is the InChIKey of 11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione?
The InChIKey is XYDVWQLEPVGHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-21-7-3-17-15(21)1-5-19-23(17)24-18-4-8-22(28)16(18)2-6-20(24)26(19)10-9-25-11-13-29-14-12-25/h1-2,5-6H,3-4,7-14H2.
What are the key properties of 11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione?
11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione has a molecular weight of 388.47 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-morpholin-4-ylethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione is sourced from PubChem (CID 45381341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).